(3S)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-3-phenyl-isochroman-6-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S/c1-25-11-9-24-22(25)29-12-10-23-20(26)16-7-8-18-17(13-16)14-19(28-21(18)27)15-5-3-2-4-6-15/h2-9,11,13,19H,10,12,14H2,1H3,(H,23,26)/t19-/m0/s1